Changeset f6a8e7

Timestamp:

May 25, 2016, 7:13:57 AM (9 years ago)

Author:

Frederik Heber <heber@…>

Children:

3b6956

Parents:

9cbbe1

git-author:

Frederik Heber <heber@…> (05/10/16 09:13:37)

git-committer:

Frederik Heber <heber@…> (05/25/16 07:13:57)

Message:

AddBondAction also sets a desired bond degree.

Files:

• src/Actions/BondAction/BondAddAction.cpp (modified) (1 diff)
• src/Actions/BondAction/BondAddAction.def (modified) (1 diff)
• tests/Python/AllActions/options.dat (modified) (1 diff)

src/Actions/BondAction/BondAddAction.cpp

@@ -91 +91 @@
         "BondAddAction::performCall() - at least one of the ids "
         +toString(iter->first)+" or "+toString(iter->second)+" is not present.");
-    firstatom->addBond(WorldTime::getTime(), secondatom);
+    bond::ptr newbond = firstatom->addBond(WorldTime::getTime(), secondatom);
+    newbond->setDegree(params.degree.get());
     ASSERT( firstatom->IsBondedTo(WorldTime::getTime(), secondatom),
       "BondAddAction::performCall() - adding bond in between "

src/Actions/BondAction/BondAddAction.def

@@ -13 +13 @@
 typedef std::vector<std::pair<atomId_t,atomId_t> > bondPairIds_t;
 
+#include "Parameters/Validators/RangeValidator.hpp"
+
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 //#define paramtypes (const element *)(BoxVector) TODO: use a validator
-#undef paramtypes
-#undef paramtokens
-#undef paramdescriptions
-#undef paramreferences
-#undef paramdefaults
-#undef paramvalids
+#define paramtypes (int)
+#define paramtokens ("bond-degree")
+#define paramdescriptions ("bond degree of each the added bonds") 
+#define paramreferences (degree)
+#define paramdefaults (PARAM_DEFAULT(1))
+#define paramvalids \
+(RangeValidator<int>(1,10))
 
 #define statetypes (bondPairIds_t)

tests/Python/AllActions/options.dat

@@ -31 +31 @@
 bin-start       "5"
 bin-width       "1."
+bond-degree     "1"
 bond-file       "bond.dat"
 bond-table      "table.dat"